Geometry & MOs

Info

ID:	309629
PubChem CID:	126551235
Reduced:	ClSN7C19H20 (1)
Stoich.:	ABC7D19E20 (1)
Weight, g/mol:	369.146871
ΔH_f, kcal/mol:	93.67
Dipole, Da:	3.88
IP(EA), eV:	-8.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-5-chloro-6-ethyl-N-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1)N=C(N=C2N3CC[C@@H](C3)N)SC4=CC5=C(C=C4)N=CN5)Cl

DOS

IR

Vibrations